SCHEMBL6767248

SCHEMBL6767248

CCCc1nn(-c2ccc(I)cc2)c2c1C(=O)CC(C(C)C)C2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALPL P05186 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
MAPT P10636 1/20 0.30
PPARA Q07869 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6769465 0.89 ALDH1A1 (0.36) DHODHALDH1A1LMNAKMT2ANPSR1
SCHEMBL6165346 0.89 ALDH1A1 (0.40) DHODHALDH1A1LMNAKMT2ANPSR1
SCHEMBL6770489 0.88 DHODH (0.35) DHODH
SCHEMBL6771481 0.82 OPRM1 (0.43) DHODHALDH1A1KMT2APPARA
SCHEMBL6771327 0.82 DHODH (0.32) DHODH
SCHEMBL6770490 0.82 ALDH1A1 (0.42) DHODHALDH1A1LMNAKMT2ANPSR1
SCHEMBL6769804 0.81 PPARA (0.38) DHODHPDE4BPPARA
SCHEMBL6776388 0.81 OPRM1 (0.38) DHODH
SCHEMBL6766574 0.80 ALDH1A1 (0.39) DHODHALDH1A1LMNAKMT2ANPSR1
SCHEMBL6777392 0.80 DHODH (0.36) DHODH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed